methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate

C17H18O5 — CID 3063118

IUPACmethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate
SMILESCCC(C(=O)OC)c1ccc(Oc2ccc(C(C)=O)o2)cc1
InChIInChI=1S/C17H18O5/c1-4-14(17(19)20-3)12-5-7-13(8-6-12)21-16-10-9-15(22-16)11(2)18/h5-10,14H,4H2,1-3H3
InChIKeyOLSOMZZQGWUITG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.94
Rot. Bonds6

About methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate

methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate (PubChem CID 3063118) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate
PubChem CID3063118
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate
SMILESCCC(C(=O)OC)c1ccc(Oc2ccc(C(C)=O)o2)cc1
InChIInChI=1S/C17H18O5/c1-4-14(17(19)20-3)12-5-7-13(8-6-12)21-16-10-9-15(22-16)11(2)18/h5-10,14H,4H2,1-3H3
InChIKeyOLSOMZZQGWUITG-UHFFFAOYSA-N
XLogP3.94
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate
CID 3063117
methyl 2-(4-phenoxyphenyl)butanoate
CID 141066175
methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
CID 19874529
1-(5-butan-2-yloxyfuran-2-yl)ethanone
CID 175527860
methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate
CID 124565179
methyl 2-[4-(1,1-difluoroethyl)phenyl]butanoate
CID 116991865
5-(4-iodophenoxy)furan-2-carboxylic acid
CID 62205649
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
[4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
CID 22411567
methyl 2-(3-propylphenyl)butanoate
CID 116545494
methyl 2-(5-methylthiophen-3-yl)butanoate
CID 65099260
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate?
The IUPAC name of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate (CID 3063118) is methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate.
What is the SMILES notation for methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate?
The canonical SMILES for methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate is CCC(C(=O)OC)c1ccc(Oc2ccc(C(C)=O)o2)cc1.
What is the InChIKey of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate?
The InChIKey is OLSOMZZQGWUITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-4-14(17(19)20-3)12-5-7-13(8-6-12)21-16-10-9-15(22-16)11(2)18/h5-10,14H,4H2,1-3H3.
What are the key properties of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate?
methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate has a molecular weight of 302.33 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate is sourced from PubChem (CID 3063118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).